1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol

C10H23NO4 — CID 106990539

IUPAC1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
SMILESCCC(O)CNCC(O)COCCOC
InChIInChI=1S/C10H23NO4/c1-3-9(12)6-11-7-10(13)8-15-5-4-14-2/h9-13H,3-8H2,1-2H3
InChIKeyGZLFXAIJFGFQKP-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.63
Rot. Bonds10

About 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol

1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol (PubChem CID 106990539) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
PubChem CID106990539
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
SMILESCCC(O)CNCC(O)COCCOC
InChIInChI=1S/C10H23NO4/c1-3-9(12)6-11-7-10(13)8-15-5-4-14-2/h9-13H,3-8H2,1-2H3
InChIKeyGZLFXAIJFGFQKP-UHFFFAOYSA-N
XLogP-0.63
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291988
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol (CID 106990539) is 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol is CCC(O)CNCC(O)COCCOC.
What is the InChIKey of 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol?
The InChIKey is GZLFXAIJFGFQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-3-9(12)6-11-7-10(13)8-15-5-4-14-2/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol?
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol has a molecular weight of 221.30 g/mol, XLogP of -0.63, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol is sourced from PubChem (CID 106990539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).